34Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL4 | C4 | sing | 1.74Å | 1.76Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | CL3 | sing | 1.74Å | 1.86Å | |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.48Å | 1.49Å | |
| C | O2 | doub | 1.21Å | 1.24Å | |
| C | O1 | sing | 1.35Å | 1.26Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL4 | C4 | C5 | 120.2° | 119.9° |
| CL4 | C4 | C3 | 113.2° | 119.9° |
| C5 | C4 | C3 | 126.6° | 120.3° |
| C4 | C5 | C6 | 119.0° | 120.1° |
| C4 | C5 | H5 | 120.5° | 119.9° |
| C4 | C3 | CL3 | 120.4° | 119.9° |
| C4 | C3 | C2 | 113.8° | 120.1° |
| C5 | C6 | C1 | 115.7° | 119.9° |
| C6 | C5 | H5 | 120.5° | 120.0° |
| C5 | C6 | H6 | 122.2° | 120.0° |
| C6 | C1 | C2 | 124.4° | 119.7° |
| C6 | C1 | C | 116.9° | 120.1° |
| C1 | C6 | H6 | 122.2° | 120.1° |
| CL3 | C3 | C2 | 125.8° | 119.9° |
| C3 | C2 | C1 | 120.5° | 119.9° |
| C3 | C2 | H2 | 119.8° | 120.1° |
| C2 | C1 | C | 118.7° | 120.2° |
| C1 | C2 | H2 | 119.8° | 120.0° |
| C1 | C | O2 | 116.3° | 120.0° |
| C1 | C | O1 | 120.3° | 120.0° |
| O2 | C | O1 | 123.4° | 120.0° |
| C | O1 | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL4 | C4 | C5 | C3 | 179.4° | 179.7° |
| CL4 | C4 | C5 | C6 | 179.3° | 180.0° |
| CL4 | C4 | C3 | CL3 | 0.7° | 0.0° |
| CL4 | C4 | C3 | C2 | 179.9° | 180.0° |
| CL4 | C4 | C5 | H5 | 0.7° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.1° | 0.0° |
| C5 | C4 | C3 | CL3 | 178.7° | 179.7° |
| C5 | C4 | C3 | C2 | 0.7° | 0.2° |
| C4 | C5 | C6 | H6 | 179.8° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C4 | C3 | CL3 | C2 | 179.3° | 180.0° |
| C4 | C3 | C2 | C1 | 1.5° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 179.8° |
| C4 | C3 | C2 | H2 | 178.5° | 180.0° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.7° | 0.2° |
| C5 | C6 | C1 | C | 178.7° | 180.0° |
| C6 | C1 | C2 | C3 | 1.6° | 0.3° |
| C6 | C1 | C2 | C | 177.9° | 179.8° |
| C6 | C1 | C | O2 | 6.2° | 0.0° |
| C6 | C1 | C | O1 | 175.2° | 180.0° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C1 | C2 | H2 | 178.3° | 179.7° |
| CL3 | C3 | C2 | C1 | 177.9° | 180.0° |
| CL3 | C3 | C2 | H2 | 2.2° | 0.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 179.6° | 180.0° |
| C2 | C1 | C | O2 | 171.9° | 179.7° |
| C2 | C1 | C | O1 | 6.7° | 0.2° |
| C2 | C1 | C6 | H6 | 179.3° | 179.8° |
| C1 | C | O2 | O1 | 178.6° | 180.0° |
| C | C1 | C6 | H6 | 1.3° | 0.0° |
| C | C1 | C2 | H2 | 0.4° | 0.0° |
| C1 | C | O1 | H1 | 178.5° | 180.0° |
| O2 | C | O1 | H1 | 0.0° | 0.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
